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Current Opinion in Electrochemistry, ISSN 2451-9103, 06/2018, Volume 9, pp. 158 - 165
Electrochemical reduction of CO (CO RR) to hydrocarbons and alcohols is a promising yet intricate catalytic process with large associated overpotentials. On... 
ELECTROCHEMISTRY | METAL-ELECTRODES | HYDROCARBONS | MATERIALS SCIENCE, MULTIDISCIPLINARY | CHEMISTRY, PHYSICAL | ELECTROCHEMICAL REDUCTION | COPPER ELECTRODE | METHANE | SUBSURFACE OXYGEN | INTERMEDIATE | CARBON-DIOXIDE | SELECTIVITY | INSIGHTS
Journal Article
The Journal of Physical Chemistry C, ISSN 1932-7447, 02/2011, Volume 115, Issue 5, pp. 2244 - 2252
The formation energies of nanostructures play an important role in determining their properties, including their catalytic activity. For the case of 15... 
C: Surfaces, Interfaces, Catalysis | ELECTRONIC-PROPERTIES | CELLS | ENERGY | OXYGEN EVOLUTION | RUTILE | MATERIALS SCIENCE, MULTIDISCIPLINARY | ENERGETICS | CHEMISTRY, PHYSICAL | NANOSCIENCE & NANOTECHNOLOGY | DENSITY-FUNCTIONAL THEORY | TIO2 | WATER | Physics - Materials Science
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 8/2013, Volume 15, Issue 35, pp. 14715 - 14722
The electrical conduction properties of ruthenium oxide nanocables are of high interest. These cables can be built as thin shells of RuO 2 surrounding an inner... 
PSEUDOPOTENTIALS | INSULATORS | TRANSMISSION | TUNNELING CURRENT | SEMICONDUCTORS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | BAND-GAPS | METAL | OXIDES | DENSITY-FUNCTIONAL THEORY | SURFACES
Journal Article
Nature Catalysis, ISSN 2520-1158, 03/2019, Volume 2, Issue 3, pp. 243 - 250
Due to a general feedstock shift, the chemical industry is charged with the task of finding ways to transform renewable ketones into value-added products. A... 
HYDROGENATION | OXYGEN REDUCTION | BIO-OIL | FTIR | ELECTRODES | ACETONE | SITES | CHEMISTRY, PHYSICAL | PYROLYSIS | ADSORPTION | PREDICTION
Journal Article
ACS Omega, ISSN 2470-1343, 11/2017, Volume 2, Issue 11, pp. 8141 - 8147
The hydrogen evolution reaction (HER) is one of the two processes in electrolytic water splitting. Known for more than two centuries, the HER still receives... 
PLATINUM SURFACES | OXIDATION | ELECTROCHEMISTRY | FUNCTIONAL THEORY CALCULATIONS | OXYGEN REDUCTION | NANOCATALYSTS | ADSORPTION PROCESSES | MONOLAYER | CHEMISTRY, MULTIDISCIPLINARY | CATALYSTS | SCHEMES
Journal Article
RSC Advances, ISSN 2046-2069, 2014, Volume 4, Issue 65, pp. 34696 - 34700
Metallic oxide compounds have interesting applications in catalysis, in optoelectronics, and as sensitive detectors. One of these, RuO2, is also an excellent... 
CHEMISTRY, MULTIDISCIPLINARY
Journal Article
NATURE ENERGY, ISSN 2058-7546, 09/2019, Volume 4, Issue 9, pp. 732 - 745
The electrocatalytic reduction of carbon dioxide is a promising approach for storing (excess) renewable electricity as chemical energy in fuels. Here, we... 
ENERGY SCALING RELATIONS | METAL-ELECTRODES | POLYCRYSTALLINE COPPER | OXYGEN REDUCTION | ENERGY & FUELS | C BOND FORMATION | MATERIALS SCIENCE, MULTIDISCIPLINARY | COPPER ELECTRODES | ELECTROCHEMICAL CO2 REDUCTION | SPECTROSCOPIC OBSERVATION | BICARBONATE REDUCTION | HETEROGENEOUS ELECTROCATALYSTS
Journal Article
Journal of Computational and Theoretical Nanoscience, ISSN 1546-1955, 04/2011, Volume 8, Issue 4, pp. 609 - 615
Journal Article
RSC Advances, 08/2014, Volume 4, Issue 65, pp. 34696 - 34700
Metallic oxide compounds have interesting applications in catalysis, in optoelectronics, and as sensitive detectors. One of these, RuO sub(2), is also an... 
Metallicity | Ruthenium oxide | Electronics | Oxides | Nanostructure | Nanowires | Electric wire | Silicon dioxide
Journal Article
Inorganic chemistry, 07/2014, Volume 53, Issue 13, p. 6534
The delicate balance between cooperative and local contributions in the ferroelectric distortions of BaTiO3 is explored by means of ab initio calculations. As... 
Journal Article
ACS ENERGY LETTERS, ISSN 2380-8195, 05/2018, Volume 3, Issue 5, pp. 1062 - 1067
This Letter compares the efficiency of the conversion of CO to C-2 species (ethanol and ethylene) on nine late transition metal (100) surfaces (Co, Ni, Cu, Rh,... 
ELECTROCHEMISTRY | ELECTROREDUCTION | ENERGY & FUELS | MATERIALS SCIENCE, MULTIDISCIPLINARY | SENSITIVITY | CHEMISTRY, PHYSICAL | ELECTROCHEMICAL REDUCTION | NANOSCIENCE & NANOTECHNOLOGY | COPPER | ENERGY SCALING RELATIONS | SINGLE-CRYSTAL ELECTRODES | INTERMEDIATE | SELECTIVITY | CATALYSTS | CU ELECTRODES
Journal Article
ChemCatChem, ISSN 1867-3880, 07/2011, Volume 3, Issue 7, pp. 1085 - 1085
Journal Article
ECS Transactions, ISSN 1938-5862, 2010, Volume 33, Issue 1, pp. 43 - 50
Conference Proceeding
JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE, ISSN 1546-1955, 04/2011, Volume 8, Issue 4, pp. 609 - 615
Journal Article
2011 International Symposium on Advanced Packaging Materials (APM), ISSN 1550-5723, 10/2011, pp. 1 - 6
We explore possible routes to tailor the catalytic and electronic properties of graphitic materials through doping. The investigation is carried out by... 
Iron | Photonic band gap | Nitrogen | Discrete Fourier transforms | Lattices | Doping
Conference Proceeding
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